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Name |
2-Thiophenecarbonitrile, 5-(methylthio)- |
EINECS | N/A |
CAS No. | 175205-78-4 | Density | 1.29 g/cm3 |
PSA | 77.33000 | LogP | 2.34168 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5NS2 | Boiling Point | 259 °C at 760 mmHg |
Molecular Weight | 155.24 | Flash Point | 110.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-(METHYLTHIO)THIOPHENE-2-CARBONITRILE |
This chemical is called 2-Thiophenecarbonitrile, 5-(methylthio)-, and its systematic name is 5-(methylsulfanyl)thiophene-2-carbonitrile. With the molecular formula of C6H5NS2, its molecular weight is 155.24. The CAS registry number of this chemical is 175205-78-4.
Other characteristics of the 2-Thiophenecarbonitrile, 5-(methylthio)- can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.05; (6)ACD/BCF (pH 7.4): 18.05; (7)ACD/KOC (pH 5.5): 276.1; (8)ACD/KOC (pH 7.4): 276.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 77.33 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 42.1 cm3; (15)Molar Volume: 120.1 cm3; (16)Polarizability: 16.68×10-24cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 110.4 °C; (20)Enthalpy of Vaporization: 49.66 kJ/mol; (21)Boiling Point: 259 °C at 760 mmHg; (22)Vapour Pressure: 0.0133 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1sc(SC)cc1
2.InChI: InChI=1/C6H5NS2/c1-8-6-3-2-5(4-7)9-6/h2-3H,1H3
3.InChIKey: BPVUDMPPURTXDX-UHFFFAOYAK